[Pw_forum] problem with ibrav = -12

[Paolo Giannozzi]

On Tue, 2011-10-04 at 12:01 +0200, jose manuel menendez montes wrote:

> According to the manual: "Alternate choice (ibrav=-12) uses b as unique
> axis: v1 = (a,0,0), v2 = (0,b,0), v3 = (a*sin(beta),0,c*cos(beta))
> where beta is the angle between axis a and c". That is, a and b are
> correct but c is not. Instead of (a*sin(beta),0,c*cos(beta)), we are
> getting (c*cos(beta),0,c*sin(beta)). Am I doing anything wrong? 

you did nothing wrong. I think that the manual is wrong: 
  v3 = (c*sin(beta),0,c*cos(beta))
Thank you for remarking this

P.
-- 
Paolo Giannozzi, IOM-Democritos and University of Udine, Italy